azepan-1-yl-[1-[(2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)carbonyl]piperidin-4-yl]methanone

Systemtic Name: azepan-1-yl-[1-[(2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)carbonyl]piperidin-4-yl]methanone Openeye Name: azepan-1-yl-[1-(2-pyrrol-1-yl-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl)-4-piperidyl]methanone CAS Name: 1-azepanyl-[1-[oxo-[2-(1-pyrrolyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl]-4-piperidinyl]methanone IUPAC Name: azepan-1-yl-[1-(2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)piperidin-4-yl]methanone Traditional Name: azepan-1-yl-[1-(2-pyrrol-1-yl-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl)-4-piperidyl]methanone Formula: C25H33N3O2S MolecularWeight: 439.61342

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)C3=C(SC4=C3CCCC4)N5C=CC=C5

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)C3=C(SC4=C3CCCC4)N5C=CC=C5

InChI

InChI=1S/C25H33N3O2S/c29-23(26-13-5-1-2-6-14-26)19-11-17-27(18-12-19)24(30)22-20-9-3-4-10-21(20)31-25(22)28-15-7-8-16-28/h7-8,15-16,19H,1-6,9-14,17-18H2